2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-methyl-pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-methyl-pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-methyl-pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid CAS Name: 2-[2-[[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-4-methyl-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid Traditional Name: 2-[2-[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]-4-methyl-pyrrolidine-1-carbonyl]pyrrolidino]acetic acid Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CC(CN3C(=O)C4CCCN4CC(=O)O)C

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CC(CN3C(=O)C4CCCN4CC(=O)O)C

InChI

InChI=1S/C25H35N5O3/c1-3-29-20(12-17-6-7-18(24(26)27)13-22(17)29)9-8-19-11-16(2)14-30(19)25(33)21-5-4-10-28(21)15-23(31)32/h6-7,12-13,16,19,21H,3-5,8-11,14-15H2,1-2H3,(H3,26,27)(H,31,32)